3-(1-benzofuran-6-yl)-5-oxidanylidene-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

Systemtic Name: 3-(1-benzofuran-6-yl)-5-oxidanylidene-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Openeye Name: 3-(benzofuran-6-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid CAS Name: 3-(6-benzofuranyl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid IUPAC Name: 3-(1-benzofuran-6-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Traditional Name: 3-(benzofuran-6-yl)-5-keto-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCCCC(=O)CC(CC(=O)O)C3=CC4=C(C=C3)C=CO4

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCCCC(=O)CC(CC(=O)O)C3=CC4=C(C=C3)C=CO4

InChI

InChI=1S/C25H28N2O4/c28-22(6-2-1-5-21-10-9-18-4-3-12-26-25(18)27-21)14-20(16-24(29)30)19-8-7-17-11-13-31-23(17)15-19/h7-11,13,15,20H,1-6,12,14,16H2,(H,26,27)(H,29,30)